5-bromo-1-propylpyrazol-3-amine

C6H10BrN3 — CID 146680327

IUPAC5-bromo-1-propylpyrazol-3-amine
SMILESCCCn1nc(N)cc1Br
InChIInChI=1S/C6H10BrN3/c1-2-3-10-5(7)4-6(8)9-10/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyZKPUOUVZLZZENO-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.64
Rot. Bonds2

About 5-bromo-1-propylpyrazol-3-amine

5-bromo-1-propylpyrazol-3-amine (PubChem CID 146680327) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-bromo-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-propylpyrazol-3-amine
PubChem CID146680327
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name5-bromo-1-propylpyrazol-3-amine
SMILESCCCn1nc(N)cc1Br
InChIInChI=1S/C6H10BrN3/c1-2-3-10-5(7)4-6(8)9-10/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyZKPUOUVZLZZENO-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-methyl-1H-pyrazol-5-amine
CID 56965752
5-bromo-1-methyl-1H-pyrazol-3-amine hydrobromide
CID 138040503
5-Bromo-1-methyl-1H-pyrazol-3-amine
CID 13248992
5-bromo-1,4-dimethyl-1H-pyrazol-3-amine
CID 178200152
1-Methyl-1H-pyrazole-3,5-diamine
CID 53302141
5-Fluoro-1-methyl-1H-pyrazol-3-amine
CID 130658396
5-Fluoro-1-propan-2-ylpyrazol-3-amine
CID 168885836
3-Bromo-1-[(2,2-difluorocyclopropyl)methyl]pyrazol-5-amine
CID 172219055
3-Bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
CID 172219090
5-Bromo-1-(4,4-difluorocyclohexyl)pyrazol-3-amine
CID 176068312
3-Bromo-1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-amine
CID 154881708
3-Bromo-1-(2,2-difluoroethyl)-1h-pyrazol-5-amine
CID 154881709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propylpyrazol-3-amine?
The IUPAC name of 5-bromo-1-propylpyrazol-3-amine (CID 146680327) is 5-bromo-1-propylpyrazol-3-amine.
What is the SMILES notation for 5-bromo-1-propylpyrazol-3-amine?
The canonical SMILES for 5-bromo-1-propylpyrazol-3-amine is CCCn1nc(N)cc1Br.
What is the InChIKey of 5-bromo-1-propylpyrazol-3-amine?
The InChIKey is ZKPUOUVZLZZENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-2-3-10-5(7)4-6(8)9-10/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of 5-bromo-1-propylpyrazol-3-amine?
5-bromo-1-propylpyrazol-3-amine has a molecular weight of 204.07 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propylpyrazol-3-amine is sourced from PubChem (CID 146680327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).